1,5-dimethyl-2-methylidenepyridine

C8H11N — CID 20671513

IUPAC1,5-dimethyl-2-methylidenepyridine
SMILESC=C1C=CC(C)=CN1C
InChIInChI=1S/C8H11N/c1-7-4-5-8(2)9(3)6-7/h4-6H,2H2,1,3H3
InChIKeyZOSWJPCUHSHAFS-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.91
Rot. Bonds

About 1,5-dimethyl-2-methylidenepyridine

1,5-dimethyl-2-methylidenepyridine (PubChem CID 20671513) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 1,5-dimethyl-2-methylidenepyridine.

Molecular Properties

Compound Name1,5-dimethyl-2-methylidenepyridine
PubChem CID20671513
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name1,5-dimethyl-2-methylidenepyridine
SMILESC=C1C=CC(C)=CN1C
InChIInChI=1S/C8H11N/c1-7-4-5-8(2)9(3)6-7/h4-6H,2H2,1,3H3
InChIKeyZOSWJPCUHSHAFS-UHFFFAOYSA-N
XLogP1.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-methylidenepyridine?
The IUPAC name of 1,5-dimethyl-2-methylidenepyridine (CID 20671513) is 1,5-dimethyl-2-methylidenepyridine.
What is the SMILES notation for 1,5-dimethyl-2-methylidenepyridine?
The canonical SMILES for 1,5-dimethyl-2-methylidenepyridine is C=C1C=CC(C)=CN1C.
What is the InChIKey of 1,5-dimethyl-2-methylidenepyridine?
The InChIKey is ZOSWJPCUHSHAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-7-4-5-8(2)9(3)6-7/h4-6H,2H2,1,3H3.
What are the key properties of 1,5-dimethyl-2-methylidenepyridine?
1,5-dimethyl-2-methylidenepyridine has a molecular weight of 121.18 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-methylidenepyridine is sourced from PubChem (CID 20671513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).